SCHEMBL7164900

SCHEMBL7164900

COc1cc(Cl)c(NC(C(=O)O)c2ccccc2)c(Cl)c1O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ LMNA P02545 2/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CLCN2 P51788 1/20 0.41
▸ KMT2A Q03164 7/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7576547 0.83 CLCN2 (0.55) ALDH1A1LMNAAKR1C3AKR1C2KDM4E
SCHEMBL7583004 0.82 ALDH1A1 (0.42) ALDH1A1LMNAKDM4ETDP1KMT2A
SCHEMBL7573747 0.81 F2 (0.46) ALDH1A1LMNAKDM4ETDP1CLCN2
SCHEMBL7573910 0.80 ATM (0.46) ALDH1A1LMNAKDM4ETDP1KMT2A
SCHEMBL7582466 0.78 F2 (0.46) ALDH1A1KDM4ECLCN2ATM
SCHEMBL7573697 0.77 CAMK2A (0.44) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL7598789 0.76 ALDH1A1 (0.62) ALDH1A1LMNAKDM4ETDP1KMT2A
SCHEMBL7574221 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL7576888 0.74 CLCN2 (0.50) ALDH1A1LMNACLCN2KMT2AMEN1
SCHEMBL7576854 0.73 PTGS2 (0.51) ALDH1A1LMNAAKR1C3AKR1C2CLCN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552077-B2 Kidney disorders EXOCELL, INC. 2003-04-22 — — US disclosed
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 — — EP disclosed
US-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies EXOCELL, INC. 2001-10-25 — — US disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies ALB, AGER, TTR ALDH1A1 942/4885LMNA 647/4885AKR1C3 1185/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback